(Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide

C22H28N2O2 — CID 98439360

IUPAC(Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)[C@H](CNC(=O)/C=C\c1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-4-24(5-2)21(19-11-7-6-8-12-19)17-23-22(25)15-14-18-10-9-13-20(16-18)26-3/h6-16,21H,4-5,17H2,1-3H3,(H,23,25)/b15-14-/t21-/m1/s1
InChIKeyBBZHDGLPULHQLI-DDAIRQTISA-N
MW352.48 g/mol
LogP3.91
Rot. Bonds9

About (Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide

(Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 98439360) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID98439360
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)[C@H](CNC(=O)/C=C\c1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-4-24(5-2)21(19-11-7-6-8-12-19)17-23-22(25)15-14-18-10-9-13-20(16-18)26-3/h6-16,21H,4-5,17H2,1-3H3,(H,23,25)/b15-14-/t21-/m1/s1
InChIKeyBBZHDGLPULHQLI-DDAIRQTISA-N
XLogP3.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 134056411
(E)-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 11267400
N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77055664
(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 46798301
(E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide
CID 78778090
(E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 46545571
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
(E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]prop-2-enamide
CID 43072507
N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77056258
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
(E)-N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 55339283
(E)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 51931070

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide (CID 98439360) is (Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide is CCN(CC)[C@H](CNC(=O)/C=C\c1cccc(OC)c1)c1ccccc1.
What is the InChIKey of (Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is BBZHDGLPULHQLI-DDAIRQTISA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-24(5-2)21(19-11-7-6-8-12-19)17-23-22(25)15-14-18-10-9-13-20(16-18)26-3/h6-16,21H,4-5,17H2,1-3H3,(H,23,25)/b15-14-/t21-/m1/s1.
What are the key properties of (Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide?
(Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 352.48 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 98439360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).